N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C27H30N8OS — CID 134539993

About N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539993) has the molecular formula C27H30N8OS and a molecular weight of 514.66 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539993
• Molecular Formula: C27H30N8OS
• Molecular Weight: 514.66 g/mol
• Exact Mass: 514.23
• IUPAC Name: N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cn[nH]c2C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C27H30N8OS/c1-5-34(6-2)17(3)14-28-27(36)19-12-23(20-15-29-33-18(20)4)31-24(13-19)21-16-30-35-10-9-22(32-26(21)35)25-8-7-11-37-25/h7-13,15-17H,5-6,14H2,1-4H3,(H,28,36)(H,29,33)/t17-/m0/s1
• InChIKey: VRSBFDKSXSJLRF-KRWDZBQOSA-N
• XLogP: 4.68
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.66
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539993) is N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cn[nH]c2C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The InChIKey is VRSBFDKSXSJLRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30N8OS/c1-5-34(6-2)17(3)14-28-27(36)19-12-23(20-15-29-33-18(20)4)31-24(13-19)21-16-30-35-10-9-22(32-26(21)35)25-8-7-11-37-25/h7-13,15-17H,5-6,14H2,1-4H3,(H,28,36)(H,29,33)/t17-/m0/s1.

What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 514.66 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)propyl]-2-(5-methyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).